4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine

C102H66N6 — CID 159291007

About 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine

4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 159291007) has the molecular formula C102H66N6 and a molecular weight of 1375.69 g/mol. Its IUPAC name is 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
• PubChem CID: 159291007
• Molecular Formula: C102H66N6
• Molecular Weight: 1375.69 g/mol
• Exact Mass: 1374.53
• IUPAC Name: 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)n3)cc2)c1
• InChI: InChI=1S/C59H37N3.C43H29N3/c1-2-15-47-44(11-1)35-55(52-20-7-3-16-48(47)52)43-12-9-13-45(33-43)58-36-57(40-26-22-39(23-27-40)46-14-10-32-60-37-46)61-59(62-58)41-28-24-38(25-29-41)42-30-31-54-51-19-5-4-17-49(51)50-18-6-8-21-53(50)56(54)34-42;1-2-9-30(10-3-1)35-13-7-16-39(27-35)43-45-41(33-21-18-32(19-22-33)40-17-8-24-44-29-40)28-42(46-43)38-15-6-14-36(26-38)37-23-20-31-11-4-5-12-34(31)25-37/h1-37H;1-29H
• InChIKey: LACSMDCUOYOSGR-UHFFFAOYSA-N
• XLogP: 26.67
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.69
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?

The IUPAC name of 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine (CID 159291007) is 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine.

What is the SMILES notation for 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?

The canonical SMILES for 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-c5ccc6ccccc6c5)c4)n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)nc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)n3)cc2)c1.

What is the InChIKey of 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?

The InChIKey is LACSMDCUOYOSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3.C43H29N3/c1-2-15-47-44(11-1)35-55(52-20-7-3-16-48(47)52)43-12-9-13-45(33-43)58-36-57(40-26-22-39(23-27-40)46-14-10-32-60-37-46)61-59(62-58)41-28-24-38(25-29-41)42-30-31-54-51-19-5-4-17-49(51)50-18-6-8-21-53(50)56(54)34-42;1-2-9-30(10-3-1)35-13-7-16-39(27-35)43-45-41(33-21-18-32(19-22-33)40-17-8-24-44-29-40)28-42(46-43)38-15-6-14-36(26-38)37-23-20-31-11-4-5-12-34(31)25-37/h1-37H;1-29H.

What are the key properties of 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?

4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 1375.69 g/mol, XLogP of 26.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 159291007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).